1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine

C10H20N2O — CID 105308012

IUPAC1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine
SMILESC#CCCC(COC(C)(C)C)NN
InChIInChI=1S/C10H20N2O/c1-5-6-7-9(12-11)8-13-10(2,3)4/h1,9,12H,6-8,11H2,2-4H3
InChIKeyDNDUJSSYFAPLSL-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.05
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine

1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine (PubChem CID 105308012) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine
PubChem CID105308012
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine
SMILESC#CCCC(COC(C)(C)C)NN
InChIInChI=1S/C10H20N2O/c1-5-6-7-9(12-11)8-13-10(2,3)4/h1,9,12H,6-8,11H2,2-4H3
InChIKeyDNDUJSSYFAPLSL-UHFFFAOYSA-N
XLogP1.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine (CID 105308012) is 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine is C#CCCC(COC(C)(C)C)NN.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine?
The InChIKey is DNDUJSSYFAPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-6-7-9(12-11)8-13-10(2,3)4/h1,9,12H,6-8,11H2,2-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine?
1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine has a molecular weight of 184.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]hex-5-yn-2-ylhydrazine is sourced from PubChem (CID 105308012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).